3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl-methyl-azanium

Systemtic Name: 3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl-methyl-azanium Openeye Name: 3-(4-bromo-2-isopropyl-phenoxy)propyl-methyl-ammonium CAS Name: 3-(4-bromo-2-propan-2-ylphenoxy)propyl-methylammonium IUPAC Name: 3-(4-bromo-2-propan-2-ylphenoxy)propyl-methylazanium Traditional Name: 3-(4-bromo-2-isopropyl-phenoxy)propyl-methyl-ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCCC[NH2+]C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCCC[NH2+]C

InChI

InChI=1S/C13H20BrNO/c1-10(2)12-9-11(14)5-6-13(12)16-8-4-7-15-3/h5-6,9-10,15H,4,7-8H2,1-3H3/p+1